Seredamine, 1-demethyl-

Details

• Internal ID: 3731f3c3-603f-44fc-aa9a-417251bd781e
• Taxonomy: Alkaloids and derivatives > Ajmaline-sarpagine alkaloids
• IUPAC Name: (13Z)-13-ethylidene-6-methoxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-trien-18-ol
• SMILES (Canonical): CC=C1CN2C3CC1C4C2CC5(C3NC6=C5C=CC=C6OC)C4O
• SMILES (Isomeric): C/C=C/1\CN2C3CC1C4C2CC5(C3NC6=C5C=CC=C6OC)C4O
• InChI: InChI=1S/C20H24N2O2/c1-3-10-9-22-13-7-11(10)16-14(22)8-20(19(16)23)12-5-4-6-15(24-2)17(12)21-18(13)20/h3-6,11,13-14,16,18-19,21,23H,7-9H2,1-2H3/b10-3+
• InChI Key: HTETYMBEAKZXSG-XCVCLJGOSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₄N₂O₂
• Molecular Weight: 324.40 g/mol
• Exact Mass: 324.183778013 g/mol
• Topological Polar Surface Area (TPSA): 44.70 Ų
• XlogP: 2.00

Synonyms

• Norseredamine
• Seredamine
• N-Demethylseredamine
• HTETYMBEAKZXSG-XCVCLJGOSA-N
• Q15427833
• 5H-6,10:11,12a-Dimethanoindolo[3,2-b]quinolizine, ajmalan-17-ol deriv.
• Ajmalan-17-ol, 19,20-didehydro-1-demethyl-12-methoxy-, (17R,19E)-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.11%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.27%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	91.92%	95.89%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.44%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.36%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.25%	86.33%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	91.18%	97.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.74%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	87.99%	97.25%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	82.67%	91.03%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	82.23%	93.03%
CHEMBL2535	P11166	Glucose transporter	81.14%	98.75%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	81.02%	89.62%
CHEMBL4208	P20618	Proteasome component C5	80.03%	90.00%

Plants that contains it

• Rauvolfia bahiensis
• Rauvolfia mannii

Cross-Links

• PubChem: 5379001
• LOTUS: LTS0072597
• wikiData: Q15427833